5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole

C11H7BrF4N2 — CID 155293864

IUPAC5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(F)cc1Br
InChIInChI=1S/C11H7BrF4N2/c1-18-9(5-10(17-18)11(14,15)16)7-3-2-6(13)4-8(7)12/h2-5H,1H3
InChIKeyIXJFMSWTCYYNLE-UHFFFAOYSA-N
MW323.09 g/mol
LogP4.01
Rot. Bonds1

About 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole

5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 155293864) has the molecular formula C11H7BrF4N2 and a molecular weight of 323.09 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID155293864
Molecular FormulaC11H7BrF4N2
Molecular Weight323.09 g/mol
Exact Mass321.97
IUPAC Name5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(F)cc1Br
InChIInChI=1S/C11H7BrF4N2/c1-18-9(5-10(17-18)11(14,15)16)7-3-2-6(13)4-8(7)12/h2-5H,1H3
InChIKeyIXJFMSWTCYYNLE-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861952
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861950
2,4-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 90393863
1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole
CID 136967042
2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 175826085
1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 116861982
3-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554071
ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 178058226
2-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-ol
CID 178058442
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole
CID 91271091

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 155293864) is 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1-c1ccc(F)cc1Br.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is IXJFMSWTCYYNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF4N2/c1-18-9(5-10(17-18)11(14,15)16)7-3-2-6(13)4-8(7)12/h2-5H,1H3.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 323.09 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 155293864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).